SIMILAR PATTERNS OF AMINO ACIDS FOR 3JUS_B_ECNB602

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b25 PROTEIN
(FORMALDEHYDE
FERREDOXIN
OXIDOREDUCTASE)

(Pyrococcus
furiosus) 		PF01314
(AFOR_C)
PF02730
(AFOR_N) 		5 LEU A 218
TYR A 505
PHE A 485
GLY A  73
ILE A 226
 None
 1.30A 3jusB-1b25A:
0.0		 3jusB-1b25A:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e5f METHIONINE
GAMMA-LYASE

(Trichomonas
vaginalis) 		PF01053
(Cys_Met_Meta_PP) 		5 THR A 186
GLY A  86
ALA A  89
THR A  93
ILE A 182
 PLP  A 405 (-3.8A)
PLP  A 405 (-3.1A)
None
None
None
 1.43A 3jusB-1e5fA:
0.0		 3jusB-1e5fA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g38 MODIFICATION
METHYLASE TAQI

(Thermus
aquaticus) 		PF07669
(Eco57I)
PF12950
(TaqI_C) 		5 TYR A 190
THR A 220
PHE A 245
GLY A 193
ALA A 203
 None
 1.36A 3jusB-1g38A:
0.0		 3jusB-1g38A:
23.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h3g CYCLOMALTODEXTRINASE

(Flavobacterium
sp. 92) 		PF00128
(Alpha-amylase)
PF09087
(Cyc-maltodext_N)
PF10438
(Cyc-maltodext_C) 		5 LEU A 281
PHE A 269
GLY A 318
THR A 325
ILE A 310
 None
 1.19A 3jusB-1h3gA:
0.0		 3jusB-1h3gA:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k8f ADENYLYL
CYCLASE-ASSOCIATED
PROTEIN

(Homo sapiens) 		PF08603
(CAP_C) 		5 LEU A 440
PHE A 382
GLY A 379
THR A 413
ILE A 410
 None
 1.38A 3jusB-1k8fA:
0.0		 3jusB-1k8fA:
16.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m54 CYSTATHIONINE
BETA-SYNTHASE

(Homo sapiens) 		PF00291
(PALP) 		5 LEU A 315
THR A 257
GLY A 305
THR A 353
ILE A 373
 None
PLP  A1110 (-3.3A)
PLP  A1110 (-3.9A)
None
None
 1.24A 3jusB-1m54A:
0.0		 3jusB-1m54A:
23.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mab PROTEIN (F1-ATPASE
BETA CHAIN)
PROTEIN (F1-ATPASE
GAMMA CHAIN)

(Rattus
norvegicus) 		PF00006
(ATP-synt_ab)
PF00231
(ATP-synt)
PF02874
(ATP-synt_ab_N) 		5 LEU B 391
GLY G  76
ALA G 228
THR G  17
ILE G  13
 None
 1.12A 3jusB-1mabB:
undetectable		 3jusB-1mabB:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o4s ASPARTATE
AMINOTRANSFERASE

(Thermotoga
maritima) 		PF00155
(Aminotran_1_2) 		5 TYR A 316
LEU A 354
GLY A 343
ALA A 345
THR A  14
 None
 1.45A 3jusB-1o4sA:
undetectable		 3jusB-1o4sA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r1a HUMAN RHINOVIRUS 1A
COAT PROTEIN
(SUBUNIT VP1)
HUMAN RHINOVIRUS 1A
COAT PROTEIN
(SUBUNIT VP3)

(Rhinovirus A) 		PF00073
(Rhv) 		5 LEU 3  52
THR 3  51
GLY 3 100
ALA 3  95
ILE 1 278
 None
 1.18A 3jusB-1r1a3:
undetectable		 3jusB-1r1a3:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wl4 ACETYL-COENZYME A
ACETYLTRANSFERASE 2

(Homo sapiens) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 LEU A 355
GLY A 117
ALA A 259
THR A  16
ILE A  18
 CSO  A  92 ( 4.6A)
None
None
None
None
 1.24A 3jusB-1wl4A:
undetectable		 3jusB-1wl4A:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wwk PHOSPHOGLYCERATE
DEHYDROGENASE

(Pyrococcus
horikoshii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 LEU A 275
THR A 276
GLY A 106
ALA A 104
THR A 198
 None
 1.35A 3jusB-1wwkA:
undetectable		 3jusB-1wwkA:
23.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y2f CELL DIVISION
PROTEIN ZIPA

(Escherichia
coli) 		PF04354
(ZipA_C) 		5 LEU A  23
THR A  79
GLY A  68
ALA A  62
ILE A  84
 None
None
WAI  A 300 ( 4.2A)
WAI  A 300 (-3.5A)
None
 1.35A 3jusB-1y2fA:
undetectable		 3jusB-1y2fA:
18.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yyr TRICHODIENE SYNTHASE

(Fusarium
sporotrichioides) 		PF06330
(TRI5) 		5 TYR A 295
PHE A 291
GLY A 188
THR A  96
ILE A  70
 None
None
None
SAZ  A 709 (-3.9A)
None
 1.41A 3jusB-1yyrA:
undetectable		 3jusB-1yyrA:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bac PUTATIVE
AMINOOXIDASE

(Cutibacterium
acnes) 		PF01593
(Amino_oxidase) 		5 TYR A 281
TYR A 370
GLY A  44
THR A 205
ILE A  61
 FAD  A 500 ( 4.6A)
FAD  A 500 ( 4.5A)
FAD  A 500 (-3.5A)
None
FAD  A 500 (-4.5A)
 1.46A 3jusB-2bacA:
undetectable		 3jusB-2bacA:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d81 PHB DEPOLYMERASE

(Talaromyces
funiculosus) 		PF10503
(Esterase_phd) 		5 LEU A 279
TYR A 267
PHE A 157
GLY A  41
ALA A  45
 None
 1.45A 3jusB-2d81A:
undetectable		 3jusB-2d81A:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2deo 441AA LONG
HYPOTHETICAL NFED
PROTEIN

(Pyrococcus
horikoshii) 		PF00574
(CLP_protease) 		5 LEU A 150
GLY A 118
ALA A  96
THR A  62
ILE A  33
 None
 1.41A 3jusB-2deoA:
undetectable		 3jusB-2deoA:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dpp NITRILE HYDRATASE
BETA SUBUNIT

(Bacillus sp.
RAPc8) 		PF02211
(NHase_beta) 		5 TYR B  72
TYR B  73
PHE B  27
GLY B  37
ALA B  40
 None
 0.96A 3jusB-2dppB:
undetectable		 3jusB-2dppB:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dvu THERMOPHILIC
REVERSIBLE
GAMMA-RESORCYLATE
DECARBOXYLASE

(Rhizobium sp.
MTP-10005) 		PF04909
(Amidohydro_2) 		5 LEU A 283
THR A 260
GLY A 263
ALA A 296
ILE A  52
 None
 1.09A 3jusB-2dvuA:
undetectable		 3jusB-2dvuA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gh8 CAPSID PROTEIN

(Vesicular
exanthema of
swine virus) 		PF00915
(Calici_coat) 		5 TYR A 552
THR A 496
PHE A 471
GLY A 570
THR A 501
 None
 1.40A 3jusB-2gh8A:
undetectable		 3jusB-2gh8A:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gry KINESIN-LIKE PROTEIN
KIF2

(Homo sapiens) 		PF00225
(Kinesin) 		5 LEU A 314
TYR A 312
PHE A 339
ALA A 284
THR A 502
 None
 1.45A 3jusB-2gryA:
undetectable		 3jusB-2gryA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j85 STIV B116

(Sulfolobus
turreted
icosahedral
virus 1) 		PF08960
(DUF1874) 		5 LEU A  57
THR A  54
GLY A  50
ALA A  48
ILE A  83
 None
 1.43A 3jusB-2j85A:
undetectable		 3jusB-2j85A:
15.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ji9 OXALYL-COA
DECARBOXYLASE

(Oxalobacter
formigenes) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 THR A  27
TYR A  29
PHE A  53
ALA A 439
ILE A  69
 None
 1.47A 3jusB-2ji9A:
undetectable		 3jusB-2ji9A:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jif SHORT/BRANCHED CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo sapiens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 LEU A 349
THR A 350
GLY A 303
ALA A 305
THR A 381
 None
 1.33A 3jusB-2jifA:
undetectable		 3jusB-2jifA:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jjf L-LYSINE EPSILON
AMINOTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00202
(Aminotran_3) 		5 TYR A 173
LEU A 177
THR A 174
GLY A 128
ALA A 131
 None
 1.20A 3jusB-2jjfA:
undetectable		 3jusB-2jjfA:
23.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oce HYPOTHETICAL PROTEIN
PA5201

(Pseudomonas
aeruginosa) 		PF00575
(S1)
PF09371
(Tex_N)
PF12836
(HHH_3)
PF16921
(Tex_YqgF) 		5 LEU A 401
THR A 398
GLY A 390
ALA A 388
THR A 331
 None
 1.33A 3jusB-2oceA:
undetectable		 3jusB-2oceA:
19.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ory LIPASE

(Photobacterium
sp. M37) 		PF01764
(Lipase_3) 		5 TYR A 283
GLY A 208
ALA A 178
THR A 182
ILE A 125
 None
 1.15A 3jusB-2oryA:
0.7		 3jusB-2oryA:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p4g HYPOTHETICAL PROTEIN

(Corynebacterium
diphtheriae) 		PF01872
(RibD_C) 		5 THR A  81
TYR A  87
GLY A  54
THR A 214
ILE A  38
 EDO  A 284 ( 3.5A)
EDO  A 271 ( 4.0A)
None
None
EDO  A 278 (-4.7A)
 1.34A 3jusB-2p4gA:
undetectable		 3jusB-2p4gA:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qs8 XAA-PRO DIPEPTIDASE

(Alteromonas
macleodii) 		PF01979
(Amidohydro_1) 		5 LEU A  10
THR A   9
GLY A 407
ALA A 381
ILE A 375
 None
 1.34A 3jusB-2qs8A:
undetectable		 3jusB-2qs8A:
23.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rin PUTATIVE GLYCINE
BETAINE-BINDING ABC
TRANSPORTER PROTEIN

(Sinorhizobium
meliloti) 		PF04069
(OpuAC) 		5 LEU A 203
THR A 120
TYR A 218
GLY A 232
ALA A 117
 None
 1.45A 3jusB-2rinA:
undetectable		 3jusB-2rinA:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v8n LACTOSE PERMEASE

(Escherichia
coli) 		PF01306
(LacY_symp) 		5 LEU A 400
GLY A 391
ALA A 389
THR A 235
ILE A 230
 None
 1.44A 3jusB-2v8nA:
undetectable		 3jusB-2v8nA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vda TRANSLOCASE SUBUNIT
SECA

(Escherichia
coli) 		PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		5 LEU A 774
THR A 770
GLY A 765
THR A 675
ILE A 679
 None
 1.42A 3jusB-2vdaA:
0.0		 3jusB-2vdaA:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN

(Azospirillum
brasilense) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 TYR A 179
TYR A 192
PHE A 191
GLY A  43
ALA A 222
 None
 1.32A 3jusB-2vdcA:
undetectable		 3jusB-2vdcA:
15.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1

(Gracilariopsis
lemaneiformis) 		PF01055
(Glyco_hydro_31) 		5 TYR A  89
LEU A 143
THR A 140
GLY A 127
ILE A 147
 None
 1.08A 3jusB-2x2iA:
undetectable		 3jusB-2x2iA:
17.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x3l ORN/LYS/ARG
DECARBOXYLASE FAMILY
PROTEIN

(Staphylococcus
aureus) 		PF01276
(OKR_DC_1)
PF03711
(OKR_DC_1_C) 		5 THR A 197
GLY A 185
ALA A 183
THR A  81
ILE A  85
 None
None
PLP  A1211 (-3.4A)
PLP  A1211 (-3.8A)
None
 1.25A 3jusB-2x3lA:
undetectable		 3jusB-2x3lA:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y4l MANNOSYLGLYCERATE
SYNTHASE

(Rhodothermus
marinus) 		no annotation 5 LEU A 357
THR A 352
TYR A 351
GLY A 268
ALA A 132
 None
 1.48A 3jusB-2y4lA:
undetectable		 3jusB-2y4lA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ze3 DFA0005

(Deinococcus
ficus) 		PF13714
(PEP_mutase) 		5 LEU A 240
THR A 239
ALA A  23
THR A  42
ILE A  47
 None
 1.41A 3jusB-2ze3A:
undetectable		 3jusB-2ze3A:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a9i HOMOCITRATE SYNTHASE

(Thermus
thermophilus) 		PF00682
(HMGL-like) 		5 THR A 220
PHE A  37
GLY A 235
ALA A 239
THR A 243
 None
 1.48A 3jusB-3a9iA:
undetectable		 3jusB-3a9iA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3da1 GLYCEROL-3-PHOSPHATE
DEHYDROGENASE

(Bacillus
halodurans) 		PF01266
(DAO)
PF16901
(DAO_C) 		5 THR A 400
GLY A  32
ALA A  34
THR A  44
ILE A  42
 None
 1.21A 3jusB-3da1A:
undetectable		 3jusB-3da1A:
23.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3din PREPROTEIN
TRANSLOCASE SUBUNIT
SECE
PREPROTEIN
TRANSLOCASE SUBUNIT
SECY

(Thermotoga
maritima) 		PF00344
(SecY)
PF00584
(SecE) 		5 LEU C 224
GLY C 400
ALA C 402
THR D  40
ILE D  36
 None
 1.09A 3jusB-3dinC:
undetectable		 3jusB-3dinC:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3la4 UREASE

(Canavalia
ensiformis) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		5 LEU A 462
THR A 426
GLY A 695
ALA A 401
ILE A 644
 None
 1.36A 3jusB-3la4A:
undetectable		 3jusB-3la4A:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m8y PHOSPHOPENTOMUTASE

(Bacillus cereus) 		PF01676
(Metalloenzyme) 		5 THR A 223
TYR A 245
PHE A 279
GLY A 370
ALA A 367
 None
 1.15A 3jusB-3m8yA:
undetectable		 3jusB-3m8yA:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mk3 6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE

(Salmonella
enterica) 		no annotation 5 LEU A 145
THR A 143
GLY A 115
ALA A  78
THR A  64
 None
 1.38A 3jusB-3mk3A:
undetectable		 3jusB-3mk3A:
15.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3njb ENOYL-COA HYDRATASE

(Mycolicibacterium
smegmatis) 		PF00378
(ECH_1) 		5 TYR A  18
LEU A  13
THR A  17
GLY A  66
ILE A  62
 None
 1.38A 3jusB-3njbA:
undetectable		 3jusB-3njbA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3obv PROTEIN DIAPHANOUS
HOMOLOG 1

(Mus musculus) 		PF02181
(FH2)
PF06345
(Drf_DAD) 		5 LEU E 962
THR E 963
PHE E 986
GLY E 981
ALA E 979
 None
 1.41A 3jusB-3obvE:
undetectable		 3jusB-3obvE:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p8l GERANYLTRANSTRANSFER
ASE

(Enterococcus
faecalis) 		PF00348
(polyprenyl_synt) 		5 LEU A  79
THR A  76
GLY A 114
ALA A 111
THR A 107
 None
 1.44A 3jusB-3p8lA:
undetectable		 3jusB-3p8lA:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qfe PUTATIVE
DIHYDRODIPICOLINATE
SYNTHASE FAMILY
PROTEIN

(Coccidioides
immitis) 		PF00701
(DHDPS) 		5 LEU A  48
TYR A 141
ALA A 216
THR A 261
ILE A 258
 None
 1.03A 3jusB-3qfeA:
undetectable		 3jusB-3qfeA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rku OXIDOREDUCTASE
YMR226C

(Saccharomyces
cerevisiae) 		PF00106
(adh_short) 		5 LEU A 182
THR A 179
GLY A 154
THR A  19
ILE A 134
 None
 1.44A 3jusB-3rkuA:
undetectable		 3jusB-3rkuA:
23.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s4t AMIDOHYDROLASE 2

(Polaromonas sp.
JS666) 		PF04909
(Amidohydro_2) 		5 LEU A 283
THR A 260
GLY A 263
ALA A 296
ILE A  52
 None
 1.10A 3jusB-3s4tA:
undetectable		 3jusB-3s4tA:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ubo ADENOSINE KINASE

(Sinorhizobium
meliloti) 		PF00294
(PfkB) 		5 TYR A 130
LEU A  37
THR A 129
GLY A  59
ALA A  12
 None
None
ADN  A 353 (-3.3A)
ADN  A 353 (-3.2A)
None
 1.41A 3jusB-3uboA:
undetectable		 3jusB-3uboA:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uj2 ENOLASE 1

(Anaerostipes
caccae) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 LEU A 382
THR A 378
GLY A  37
ALA A 119
ILE A  89
 None
 1.46A 3jusB-3uj2A:
undetectable		 3jusB-3uj2A:
24.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uug MULTIPLE
SUGAR-BINDING
PERIPLASMIC RECEPTOR
CHVE

(Agrobacterium
fabrum) 		PF13407
(Peripla_BP_4) 		5 TYR A 150
GLY A 112
ALA A 116
THR A 120
ILE A 134
 None
 1.29A 3jusB-3uugA:
undetectable		 3jusB-3uugA:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w4k D-AMINO-ACID OXIDASE

(Homo sapiens) 		PF01266
(DAO) 		5 TYR A 314
THR A 317
GLY A  50
ALA A  48
THR A  44
 None
FAD  A 401 (-4.0A)
FAD  A 401 (-3.8A)
FAD  A 401 (-3.3A)
FAD  A 401 (-4.0A)
 1.30A 3jusB-3w4kA:
undetectable		 3jusB-3w4kA:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wsv L-LACTATE
DEHYDROGENASE

(Enterococcus
mundtii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 LEU A 150
THR A 149
GLY A 145
THR A  80
ILE A  20
 None
 1.19A 3jusB-3wsvA:
undetectable		 3jusB-3wsvA:
23.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a4k ANTIVIRAL HELICASE
SKI2

(Saccharomyces
cerevisiae) 		PF13234
(rRNA_proc-arch) 		5 LEU A 885
THR A 882
TYR A 878
ALA A 906
THR A 984
 None
 1.47A 3jusB-4a4kA:
undetectable		 3jusB-4a4kA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 TYR B3088
THR B3092
TYR B3095
GLY B3238
ALA B3239
 None
 1.39A 3jusB-4bedB:
undetectable		 3jusB-4bedB:
14.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bq4 B-AGARASE

(Saccharophagus
degradans) 		PF02449
(Glyco_hydro_42) 		5 TYR A 419
TYR A 402
PHE A 374
GLY A 342
ALA A 385
 None
 1.30A 3jusB-4bq4A:
undetectable		 3jusB-4bq4A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli) 		PF00294
(PfkB) 		5 TYR A 128
LEU A  35
THR A 127
GLY A  57
ALA A  10
 None
None
ADN  A 500 (-3.0A)
ADN  A 500 (-3.7A)
None
 1.45A 3jusB-4e3aA:
undetectable		 3jusB-4e3aA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g4i 4-O-METHYL-GLUCURONO
YL METHYLESTERASE

(Thermothelomyces
thermophila) 		no annotation 5 LEU A 340
PHE A 220
GLY A 323
ALA A 322
ILE A 247
 None
 1.45A 3jusB-4g4iA:
undetectable		 3jusB-4g4iA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g7e UREASE

(Cajanus cajan) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		5 LEU B 462
THR B 426
GLY B 695
ALA B 401
ILE B 644
 None
 1.31A 3jusB-4g7eB:
undetectable		 3jusB-4g7eB:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hnh NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E

(Veillonella
parvula) 		PF13460
(NAD_binding_10) 		5 PHE A  58
GLY A  12
ALA A  15
THR A  19
ILE A   5
 NAP  A 301 (-3.6A)
NAP  A 301 (-3.1A)
None
None
None
 1.41A 3jusB-4hnhA:
undetectable		 3jusB-4hnhA:
19.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i3g BETA-GLUCOSIDASE

(Streptomyces
venezuelae) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 TYR A 711
GLY A 387
ALA A 389
THR A 567
ILE A 606
 None
None
SO4  A 907 ( 4.7A)
None
None
 1.30A 3jusB-4i3gA:
undetectable		 3jusB-4i3gA:
19.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l27 CYSTATHIONINE
BETA-SYNTHASE

(Homo sapiens) 		no annotation 5 LEU B 315
THR B 257
GLY B 305
THR B 353
ILE B 373
 None
PLP  B 601 (-3.3A)
PLP  B 601 ( 4.0A)
None
None
 1.36A 3jusB-4l27B:
undetectable		 3jusB-4l27B:
24.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l5i TRANSCRIPTIONAL
REGULATOR LSRR

(Escherichia
coli) 		PF04198
(Sugar-bind) 		5 PHE A 249
GLY A 209
ALA A 283
THR A 306
ILE A 314
 None
 1.43A 3jusB-4l5iA:
undetectable		 3jusB-4l5iA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lua N-ACETYLTRANSFERASE

(Staphylococcus
aureus) 		PF13420
(Acetyltransf_4) 		5 LEU A 116
THR A 117
TYR A 130
PHE A 129
ALA A  67
 None
 1.26A 3jusB-4luaA:
undetectable		 3jusB-4luaA:
16.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p6v NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT B

(Vibrio cholerae) 		PF03116
(NQR2_RnfD_RnfE) 		5 LEU B 165
THR B 162
GLY B 186
ALA B 207
ILE B 386
 None
 0.97A 3jusB-4p6vB:
undetectable		 3jusB-4p6vB:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pcs ALPHA-L-FUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01120
(Alpha_L_fucos) 		5 TYR A 463
THR A 435
GLY A 378
ALA A 380
THR A 398
 None
 1.32A 3jusB-4pcsA:
undetectable		 3jusB-4pcsA:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pmn TAT-SECRETED PROTEIN
RV2525C

(Mycobacterium
tuberculosis) 		PF08924
(DUF1906) 		5 THR A 172
GLY A 188
ALA A 184
THR A 180
ILE A 143
 None
 1.29A 3jusB-4pmnA:
undetectable		 3jusB-4pmnA:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rxu PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Chloroflexus
aurantiacus) 		PF13407
(Peripla_BP_4) 		5 LEU A 250
THR A 240
GLY A 274
ALA A 276
ILE A 268
 None
 1.32A 3jusB-4rxuA:
undetectable		 3jusB-4rxuA:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u6d CONSERVED
HYPOTHETICAL
PERIPLASMIC PROTEIN

(Zobellia
galactanivorans) 		no annotation 5 TYR A  70
GLY A 351
ALA A 331
THR A 287
ILE A 300
 EDO  A 520 (-4.3A)
None
None
None
None
 1.40A 3jusB-4u6dA:
undetectable		 3jusB-4u6dA:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4udr GLUCOSE-METHANOL-CHO
LINE OXIDOREDUCTASE

(Methylovorus
sp. MP688) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 LEU A 528
GLY A 488
ALA A 499
THR A 265
ILE A  10
 None
 1.45A 3jusB-4udrA:
undetectable		 3jusB-4udrA:
22.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uhi STEROL 14-ALPHA
DEMETHYLASE

(Homo sapiens) 		PF00067
(p450) 		9 TYR A 131
LEU A 134
THR A 135
TYR A 145
PHE A 152
GLY A 307
ALA A 311
THR A 315
ILE A 377
 VFV  A 580 (-4.1A)
VFV  A 580 (-4.4A)
VFV  A 580 (-4.7A)
HEM  A 540 (-4.5A)
HEM  A 540 ( 4.3A)
VFV  A 580 (-2.9A)
HEM  A 540 ( 3.4A)
HEM  A 540 (-3.6A)
HEM  A 540 ( 3.9A)
 0.64A 3jusB-4uhiA:
61.2		 3jusB-4uhiA:
99.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uym 14-ALPHA STEROL
DEMETHYLASE

(Aspergillus
fumigatus) 		PF00067
(p450) 		6 TYR A 122
LEU A 125
THR A 126
TYR A 136
ALA A 307
ILE A 373
 VOR  A 590 (-3.8A)
None
None
HEM  A 580 (-4.6A)
VOR  A 590 ( 4.0A)
HEM  A 580 (-4.1A)
 0.86A 3jusB-4uymA:
47.9		 3jusB-4uymA:
39.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4whb PHENYLUREA HYDROLASE
B

(Mycolicibacterium
brisbanense) 		no annotation 5 THR E 142
PHE E 154
GLY E 145
ALA E 208
ILE E 272
 None
 1.11A 3jusB-4whbE:
undetectable		 3jusB-4whbE:
23.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wib MAGNESIUM
TRANSPORTER MGTE

(Thermus
thermophilus) 		PF01769
(MgtE) 		5 LEU A 364
GLY A 331
ALA A 401
THR A 434
ILE A 438
 None
 1.48A 3jusB-4wibA:
undetectable		 3jusB-4wibA:
19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c5x AQUAPORIN-5

(Homo sapiens) 		PF00230
(MIP) 		5 LEU A  47
PHE A  24
GLY A  30
ALA A  32
ILE A 177
 None
 1.13A 3jusB-5c5xA:
undetectable		 3jusB-5c5xA:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cdh MAJOR ACID
PHOSPHATASE

(Legionella
pneumophila) 		PF00328
(His_Phos_2) 		5 TYR A 250
PHE A 237
ALA A 279
THR A  97
ILE A 150
 None
1PE  A 403 ( 3.9A)
None
None
None
 1.43A 3jusB-5cdhA:
undetectable		 3jusB-5cdhA:
23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cni METABOTROPIC
GLUTAMATE RECEPTOR 2

(Homo sapiens) 		PF01094
(ANF_receptor) 		5 TYR A 458
THR A 316
TYR A 468
GLY A 296
ALA A 275
 None
None
None
GGL  A 601 ( 4.3A)
None
 1.13A 3jusB-5cniA:
undetectable		 3jusB-5cniA:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dl8 BENZOATE TRANSPORT
PORIN BENP

(Acinetobacter
baumannii) 		no annotation 5 LEU B 134
THR B 135
TYR B 137
PHE B 171
GLY B 283
 None
 1.43A 3jusB-5dl8B:
undetectable		 3jusB-5dl8B:
23.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5epg ALDEHYDE OXIDASE

(Homo sapiens) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 TYR A 964
PHE A1159
GLY A 890
ALA A 928
THR A 932
 None
 1.35A 3jusB-5epgA:
undetectable		 3jusB-5epgA:
16.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eyi NON-STRUCTURAL
PROTEIN 11

(Porcine
reproductive
and respiratory
syndrome virus) 		no annotation 5 TYR A 219
THR A 177
GLY A 164
ALA A 173
THR A 139
 None
 1.48A 3jusB-5eyiA:
undetectable		 3jusB-5eyiA:
20.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fsa CYP51 VARIANT1

(Candida
albicans) 		PF00067
(p450) 		5 TYR A 118
THR A 122
TYR A 132
GLY A 303
THR A 311
 X2N  A 590 ( 4.0A)
None
HEM  A 580 (-4.1A)
X2N  A 590 ( 4.8A)
HEM  A 580 (-3.6A)
 0.63A 3jusB-5fsaA:
46.0		 3jusB-5fsaA:
39.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hs1 LANOSTEROL 14-ALPHA
DEMETHYLASE

(Saccharomyces
cerevisiae) 		PF00067
(p450) 		5 TYR A 126
THR A 130
TYR A 140
GLY A 310
THR A 318
 VOR  A 602 ( 3.8A)
None
HEM  A 601 (-4.3A)
VOR  A 602 (-4.3A)
HEM  A 601 (-3.4A)
 0.49A 3jusB-5hs1A:
45.0		 3jusB-5hs1A:
35.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5int PHOSPHOPANTOTHENOYLC
YSTEINE
DECARBOXYLASE

(Bacillus
anthracis) 		PF04127
(DFP) 		5 THR A 247
GLY A 235
ALA A 194
THR A 273
ILE A 219
 None
 1.24A 3jusB-5intA:
undetectable		 3jusB-5intA:
19.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jlc LANOSTEROL 14-ALPHA
DEMETHYLASE

([Candida]
glabrata) 		PF00067
(p450) 		5 TYR A 127
THR A 131
TYR A 141
GLY A 311
THR A 319
 1YN  A 602 ( 3.8A)
1YN  A 602 ( 4.9A)
HEM  A 601 (-4.2A)
1YN  A 602 (-3.9A)
HEM  A 601 ( 3.5A)
 0.61A 3jusB-5jlcA:
44.4		 3jusB-5jlcA:
35.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kzn METABOTROPIC
GLUTAMATE RECEPTOR 2

(Homo sapiens) 		PF01094
(ANF_receptor)
PF07562
(NCD3G) 		5 TYR A 458
THR A 316
TYR A 468
GLY A 296
ALA A 275
 None
 1.18A 3jusB-5kznA:
undetectable		 3jusB-5kznA:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lgg ANAPHASE-PROMOTING
COMPLEX SUBUNIT
1,ANAPHASE-PROMOTING
COMPLEX SUBUNIT
1,ANAPHASE-PROMOTING
COMPLEX SUBUNIT
1,ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF12859
(ANAPC1) 		5 TYR A  94
LEU A  93
PHE A  20
GLY A 105
ALA A 112
 None
 1.47A 3jusB-5lggA:
undetectable		 3jusB-5lggA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tr1 CHLORIDE CHANNEL
PROTEIN

(Bos taurus) 		PF00654
(Voltage_CLC) 		5 PHE A 519
GLY A 120
ALA A 423
THR A 154
ILE A 161
 None
 1.30A 3jusB-5tr1A:
0.7		 3jusB-5tr1A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vm2 ALCOHOL
DEHYDROGENASE

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 175
THR A 244
GLY A 157
ALA A 161
ILE A 196
 None
 1.47A 3jusB-5vm2A:
undetectable		 3jusB-5vm2A:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vnc GLYCOGEN [STARCH]
SYNTHASE ISOFORM 2

(Saccharomyces
cerevisiae) 		no annotation 5 THR A  35
TYR A  39
GLY A 603
THR A 245
ILE A 189
 None
 1.22A 3jusB-5vncA:
undetectable		 3jusB-5vncA:
10.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo sapiens) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		5 TYR A 183
THR A 184
GLY A 169
ALA A 173
THR A 177
 None
 1.37A 3jusB-5x49A:
undetectable		 3jusB-5x49A:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xfa NAD-REDUCING
HYDROGENASE

(Hydrogenophilus
thermoluteolus) 		PF00374
(NiFeSe_Hases)
PF01058
(Oxidored_q6) 		5 LEU D 131
PHE C  47
GLY D 151
ALA D 153
ILE D 164
 None
 1.19A 3jusB-5xfaD:
undetectable		 3jusB-5xfaD:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xyj ACETYL-COA
ACETYLTRANSFERASE

(Saccharomyces
cerevisiae) 		no annotation 5 LEU B 356
GLY B 116
ALA B 259
THR B  13
ILE B  15
 None
 1.20A 3jusB-5xyjB:
undetectable		 3jusB-5xyjB:
15.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE

(Naegleria
fowleri) 		no annotation 5 TYR A 107
TYR A 120
GLY A 290
ALA A 293
THR A 297
 TPF  A 506 (-4.2A)
None
TPF  A 506 ( 4.6A)
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
 0.86A 3jusB-6ay4A:
48.8		 3jusB-6ay4A:
40.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cia ALDO/KETO REDUCTASE

(Klebsiella
pneumoniae) 		no annotation 5 LEU A  99
GLY A  58
ALA A  60
THR A  21
ILE A  49
 None
None
None
NDP  A 301 (-4.9A)
None
 1.44A 3jusB-6ciaA:
undetectable		 3jusB-6ciaA:
13.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cj7 SERPIN-12

(Manduca sexta) 		no annotation 5 LEU A  89
PHE A 107
ALA A  42
THR A  46
ILE A 283
 None
 1.43A 3jusB-6cj7A:
undetectable		 3jusB-6cj7A:
10.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6d0g PIRIN FAMILY PROTEIN

(Acinetobacter
baumannii) 		no annotation 5 PHE A  65
GLY A  61
ALA A 133
THR A  85
ILE A 104
 None
 1.27A 3jusB-6d0gA:
undetectable		 3jusB-6d0gA:
11.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6dft -

(-) 		no annotation 5 TYR B 143
GLY B 214
ALA B  99
THR B  97
ILE B  75
 None
NAD  B 500 (-3.6A)
NAD  B 500 (-3.2A)
None
None
 1.33A 3jusB-6dftB:
undetectable		 3jusB-6dftB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eo5 PPBBE-LIKE 1 D396N

(Physcomitrella
patens) 		no annotation 5 LEU A 195
THR A 197
GLY A 231
ALA A 230
ILE A 415
 None
 1.20A 3jusB-6eo5A:
undetectable		 3jusB-6eo5A:
13.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6exc ICMP (DOTM)

(Legionella
pneumophila) 		no annotation 5 TYR A 283
LEU A 285
THR A 286
ALA A 341
ILE A 354
 None
 1.42A 3jusB-6excA:
undetectable		 3jusB-6excA:
11.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6g2j NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
5

(Mus musculus) 		no annotation 5 LEU L 274
THR L 275
ALA L 408
THR L 412
ILE L 399
 None
 1.42A 3jusB-6g2jL:
undetectable		 3jusB-6g2jL:
11.76